UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44257325
44257325
44257329
44257329

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Popular Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-phenyl-propan-1-amine N-[(1R)-1-(1,3-benzodioxol-5-yl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.27 9.22 -50.32 2 3 1 35 284.379 6 ↓

Analogs

44257325
44257325
44257329
44257329

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Popular Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-phenyl-propan-1-amine N-[(1S)-1-(1,3-benzodioxol-5-yl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.27 9.22 -50.57 2 3 1 35 284.379 6 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-propan-1-amine N-(1,3-benzodioxol-5-ylmethyl)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.71 8.44 -51.35 2 3 1 35 270.352 6 ↓

Analogs

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Popular Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-3-phenyl-propan-1-amine N-[(7-bromo-1,3-benzodioxol-5-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.45 9.09 -52.84 2 3 1 35 349.248 6 ↓

Parameters Provided:

ring.id = 23736
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 23736 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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